Monomers

3-Methoxycarbonylbut-3-enoate

Identifiers

IUPAC name
3-methoxycarbonylbut-3-enoate
InchI
InChI=1S/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)/p-1
InchI Key
KBFJHOCTSIMQKL-UHFFFAOYSA-M
SMILES
[O-]C(=O)CC(=C)C(=O)OC
Canonical SMILES
COC(=O)C(=C)CC(=O)[O-]
Isomeric SMILES
COC(=O)C(=C)CC(=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7O4-
Heavy Atom Count
10
Molecular Weight
143.118
Exact Molecular Weight
143.035
Valence Electrons
56
Radical Electrons
0
tPSA
66.43
MolLogP
-1.1444
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.2867    2.3522    0.9654 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6551    1.3119    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4259    1.3962   -0.9111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456    0.0935    1.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915   -0.8872    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   -2.0950    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.5678   -0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762   -1.4208   -1.2764 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339    0.6765   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    0.9996   -1.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -0.3653    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672    0.4153    1.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153   -2.3812    0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -2.8349   -0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013    1.8740   -0.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    0.1391   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    1.2938   -2.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
 10 15  1  0
 10 16  1  0
 10 17  1  0
M  CHG  1   1  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers